MassBank Record: KO003391



 Minoxidil; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003391
RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M035

CH$NAME: Minoxidil CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H15N5O CH$EXACT_MASS: 209.12766 CH$SMILES: Nc(c1)n(=O)c(N)nc1N(C2)CCCC2 CH$IUPAC: InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12) CH$LINK: KEGG C07226 CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 210 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01q9-9800000000-1a8a598ebb2e2427f97f PK$NUM_PEAK: 79 PK$PEAK: m/z int. rel.int. 41.200 346535.0 7 43.100 287129.0 6 44.200 84158.5 2 45.000 282178.5 5 54.300 39604.0 1 55.200 257426.0 5 56.300 2465349.0 48 57.200 44554.5 1 58.300 79208.0 2 59.200 89109.0 2 60.200 301980.5 6 65.900 252475.5 5 67.100 7396047.0 143 68.100 16643581.0 323 69.200 5252480.5 102 70.000 356436.0 7 72.000 183168.5 4 78.000 1158417.0 22 79.200 351485.5 7 80.200 594060.0 12 81.200 11173278.5 217 82.300 594060.0 12 83.200 19227742.0 373 84.200 51534705.0 999 85.000 351485.5 7 91.300 34653.5 1 91.900 257426.0 5 93.100 722773.0 14 94.100 292079.5 6 95.100 3712875.0 72 96.000 297030.0 6 97.300 648515.5 13 98.000 1495051.0 29 103.000 39604.0 1 104.400 49505.0 1 105.000 3876241.5 75 106.300 504951.0 10 106.800 485149.0 9 108.200 3668320.5 71 109.200 3613865.0 70 110.200 32683201.0 634 111.300 1198021.0 23 112.600 19802.0 1 116.100 34653.5 1 118.100 138614.0 3 119.100 554456.0 11 120.200 3589112.5 70 121.000 326733.0 6 122.200 7782186.0 151 123.400 1019803.0 20 124.300 1460397.5 28 125.000 693070.0 13 126.200 138614.0 3 130.000 188119.0 4 132.200 59406.0 1 133.000 445545.0 9 134.100 84158.5 2 135.100 128713.0 2 136.200 559406.5 11 137.400 12628725.5 245 138.200 3188122.0 62 139.300 138614.0 3 144.900 376238.0 7 146.100 321782.5 6 147.200 7212878.5 140 148.300 178218.0 3 149.300 1623764.0 31 150.200 5118817.0 99 151.400 361386.5 7 152.200 420792.5 8 158.400 19802.0 1 162.300 2351487.5 46 163.400 613862.0 12 164.300 16425759.0 318 165.600 34653.5 1 175.400 257426.0 5 177.200 39604.0 1 178.300 732674.0 14 192.400 792080.0 15 //

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